4-(piperidine-1-carbonyl)-N-(2,3,4-trifluorophenyl)benzamide

C19H17F3N2O2 — CID 109044714

IUPAC4-(piperidine-1-carbonyl)-N-(2,3,4-trifluorophenyl)benzamide
SMILESO=C(Nc1ccc(F)c(F)c1F)c1ccc(C(=O)N2CCCCC2)cc1
InChIInChI=1S/C19H17F3N2O2/c20-14-8-9-15(17(22)16(14)21)23-18(25)12-4-6-13(7-5-12)19(26)24-10-2-1-3-11-24/h4-9H,1-3,10-11H2,(H,23,25)
InChIKeyJKGYILCTIFWLRT-UHFFFAOYSA-N
MW362.35 g/mol
LogP3.98
Rot. Bonds3

About 4-(piperidine-1-carbonyl)-N-(2,3,4-trifluorophenyl)benzamide

4-(piperidine-1-carbonyl)-N-(2,3,4-trifluorophenyl)benzamide (PubChem CID 109044714) has the molecular formula C19H17F3N2O2 and a molecular weight of 362.35 g/mol. Its IUPAC name is 4-(piperidine-1-carbonyl)-N-(2,3,4-trifluorophenyl)benzamide.

Molecular Properties

Compound Name4-(piperidine-1-carbonyl)-N-(2,3,4-trifluorophenyl)benzamide
PubChem CID109044714
Molecular FormulaC19H17F3N2O2
Molecular Weight362.35 g/mol
Exact Mass362.12
IUPAC Name4-(piperidine-1-carbonyl)-N-(2,3,4-trifluorophenyl)benzamide
SMILESO=C(Nc1ccc(F)c(F)c1F)c1ccc(C(=O)N2CCCCC2)cc1
InChIInChI=1S/C19H17F3N2O2/c20-14-8-9-15(17(22)16(14)21)23-18(25)12-4-6-13(7-5-12)19(26)24-10-2-1-3-11-24/h4-9H,1-3,10-11H2,(H,23,25)
InChIKeyJKGYILCTIFWLRT-UHFFFAOYSA-N
XLogP3.98
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.35
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

4-(azepane-1-carbonyl)-N-(2,4-difluorophenyl)benzamide
CID 109049185
N-(2,3,4-trifluorophenyl)azepane-1-carboxamide
CID 47193814
1-(4-fluorobenzoyl)-N-(2,3,4-trifluorophenyl)piperidine-3-carboxamide
CID 24534971
N-(2,5-dichlorophenyl)-4-(piperidine-1-carbonyl)benzamide
CID 109044703
N-(5-chloro-2-methylphenyl)-4-(piperidine-1-carbonyl)benzamide
CID 109044656
4-methyl-N-(2,3,4-trifluorophenyl)benzamide
CID 2110476
4-(azepane-1-carbonyl)-N-(2,4-dimethylphenyl)benzamide
CID 109049129
1-N,4-N-bis[4-(pyrrolidine-1-carbonyl)phenyl]benzene-1,4-dicarboxamide
CID 17196721
4-(2,3-dihydroindole-1-carbonyl)-N-(2,3,4-trifluorophenyl)benzamide
CID 109049568
[4-(azocane-1-carbonyl)phenyl]-(azocan-1-yl)methanone
CID 3317192
3-(4-formylpiperazine-1-carbonyl)-N-(2,3,4-trifluorophenyl)benzamide
CID 109053853
1-N-phenyl-4-N-(2,3,4-trifluorophenyl)benzene-1,4-dicarboxamide
CID 109049282

Frequently Asked Questions

What is the IUPAC name of 4-(piperidine-1-carbonyl)-N-(2,3,4-trifluorophenyl)benzamide?
The IUPAC name of 4-(piperidine-1-carbonyl)-N-(2,3,4-trifluorophenyl)benzamide (CID 109044714) is 4-(piperidine-1-carbonyl)-N-(2,3,4-trifluorophenyl)benzamide.
What is the SMILES notation for 4-(piperidine-1-carbonyl)-N-(2,3,4-trifluorophenyl)benzamide?
The canonical SMILES for 4-(piperidine-1-carbonyl)-N-(2,3,4-trifluorophenyl)benzamide is O=C(Nc1ccc(F)c(F)c1F)c1ccc(C(=O)N2CCCCC2)cc1.
What is the InChIKey of 4-(piperidine-1-carbonyl)-N-(2,3,4-trifluorophenyl)benzamide?
The InChIKey is JKGYILCTIFWLRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2O2/c20-14-8-9-15(17(22)16(14)21)23-18(25)12-4-6-13(7-5-12)19(26)24-10-2-1-3-11-24/h4-9H,1-3,10-11H2,(H,23,25).
What are the key properties of 4-(piperidine-1-carbonyl)-N-(2,3,4-trifluorophenyl)benzamide?
4-(piperidine-1-carbonyl)-N-(2,3,4-trifluorophenyl)benzamide has a molecular weight of 362.35 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(piperidine-1-carbonyl)-N-(2,3,4-trifluorophenyl)benzamide is sourced from PubChem (CID 109044714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).